1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one

C18H27NO — CID 66448744

IUPAC1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one
SMILESCCCCC1CCC(C(=O)C(C)c2ccccn2)CC1
InChIInChI=1S/C18H27NO/c1-3-4-7-15-9-11-16(12-10-15)18(20)14(2)17-8-5-6-13-19-17/h5-6,8,13-16H,3-4,7,9-12H2,1-2H3
InChIKeyHIDATZQYRNFRCN-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.75
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one

1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one (PubChem CID 66448744) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one
PubChem CID66448744
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one
SMILESCCCCC1CCC(C(=O)C(C)c2ccccn2)CC1
InChIInChI=1S/C18H27NO/c1-3-4-7-15-9-11-16(12-10-15)18(20)14(2)17-8-5-6-13-19-17/h5-6,8,13-16H,3-4,7,9-12H2,1-2H3
InChIKeyHIDATZQYRNFRCN-UHFFFAOYSA-N
XLogP4.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one (CID 66448744) is 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one is CCCCC1CCC(C(=O)C(C)c2ccccn2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one?
The InChIKey is HIDATZQYRNFRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-4-7-15-9-11-16(12-10-15)18(20)14(2)17-8-5-6-13-19-17/h5-6,8,13-16H,3-4,7,9-12H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one?
1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 66448744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).